============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 15 0.840 2.254 5.019 49.372 -99.200 -91.000 PHE 16 1.000 9.481 7.341 44.444 -99.200 -91.000 PHE 31 1.000 5.040 17.849 49.180 -99.200 -91.000 PHE 37 1.000 0.643 9.517 63.163 -99.200 -91.000 TYR 43 0.840 -0.999 9.126 78.484 -99.200 -91.000 HIS 50 0.900 -18.056 28.665 86.418 -99.200 -91.000 PHE 67 1.000 8.436 7.670 57.609 -99.200 -91.000 HIS 69 0.900 1.503 0.150 52.897 -99.200 -91.000 TRP 74 1.040 3.104 2.156 56.399 -99.200 -91.000 TRP6 74 1.020 2.478 3.718 54.749 -99.200 -91.000 TYR 77 0.840 15.606 5.565 51.253 -99.200 -91.000 TYR 81 0.840 14.411 18.421 54.637 -99.200 -91.000 PHE 82 1.000 9.732 12.649 60.277 -99.200 -91.000 PHE 88 1.000 -6.759 20.429 70.811 -99.200 -91.000 PHE 98 1.000 -10.810 24.652 73.445 -99.200 -91.000 PHE 103 1.000 -12.272 24.019 78.403 -99.200 -91.000 TYR 114 0.840 0.520 26.870 76.722 -99.200 -91.000 PHE 115 1.000 -6.776 22.101 76.149 -99.200 -91.000 HIS 135 0.900 18.788 20.179 58.974 -99.200 -91.000 PHE 145 1.000 14.009 23.923 63.741 -99.200 -91.000 HIS 160 0.900 -0.565 14.720 50.624 -99.200 -91.000 TYR 178 0.840 -1.871 28.262 51.260 -99.200 -91.000 PHE 182 1.000 -1.296 26.011 57.208 -99.200 -91.000 TYR 183 0.840 0.444 30.932 61.559 -99.200 -91.000 HIS 185 0.900 -2.373 36.070 63.134 -99.200 -91.000 HIS 188 0.900 -5.003 40.645 63.784 -99.200 -91.000 TYR 191 0.840 -7.241 42.084 73.322 -99.200 -91.000 TYR 194 0.840 -12.520 36.174 73.566 -99.200 -91.000 PHE 201 1.000 -7.544 37.487 75.392 -99.200 -91.000 TYR 203 0.840 -3.962 28.424 73.688 -99.200 -91.000 TYR 214 0.840 5.875 19.270 65.352 -99.200 -91.000 PHE 219 1.000 13.047 8.411 62.560 -99.200 -91.000 HIS 234 0.900 10.354 -3.772 62.967 -99.200 -91.000 PHE 235 1.000 14.325 3.388 64.252 -99.200 -91.000 HIS 238 0.900 5.000 6.771 70.263 -99.200 -91.000 TYR 252 0.840 5.540 15.835 85.536 -99.200 -91.000 PHE 265 1.000 2.819 18.271 76.338 -99.200 -91.000 TYR 267 0.840 3.049 12.747 77.999 -99.200 -91.000 TYR 286 0.840 20.291 6.608 48.885 -99.200 -91.000